2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine

C14H13ClFNO — CID 55238186

IUPAC2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(Oc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C14H13ClFNO/c15-11-2-1-3-12(9-11)18-14-5-4-10(6-7-17)8-13(14)16/h1-5,8-9H,6-7,17H2
InChIKeyVGTASBBLKGVOBQ-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.77
Rot. Bonds4

About 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine

2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine (PubChem CID 55238186) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
PubChem CID55238186
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(Oc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C14H13ClFNO/c15-11-2-1-3-12(9-11)18-14-5-4-10(6-7-17)8-13(14)16/h1-5,8-9H,6-7,17H2
InChIKeyVGTASBBLKGVOBQ-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine (CID 55238186) is 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine is NCCc1ccc(Oc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine?
The InChIKey is VGTASBBLKGVOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-11-2-1-3-12(9-11)18-14-5-4-10(6-7-17)8-13(14)16/h1-5,8-9H,6-7,17H2.
What are the key properties of 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine?
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine has a molecular weight of 265.72 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 55238186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).